3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine

C18H17ClFN3O — CID 170699040

IUPAC3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine
SMILESCn1ncc(Cl)c1C(Cc1cccnc1)OCc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O/c1-23-18(16(19)11-22-23)17(9-14-3-2-8-21-10-14)24-12-13-4-6-15(20)7-5-13/h2-8,10-11,17H,9,12H2,1H3
InChIKeyGAGLIROZERXJNU-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.11
Rot. Bonds6

About 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine

3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine (PubChem CID 170699040) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine
PubChem CID170699040
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine
SMILESCn1ncc(Cl)c1C(Cc1cccnc1)OCc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O/c1-23-18(16(19)11-22-23)17(9-14-3-2-8-21-10-14)24-12-13-4-6-15(20)7-5-13/h2-8,10-11,17H,9,12H2,1H3
InChIKeyGAGLIROZERXJNU-UHFFFAOYSA-N
XLogP4.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine
CID 175988325
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 114643064
N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296516
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 114649519
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-fluorophenyl)ethanamine
CID 114646675
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 105046655
2-N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylpropane-1,2-diamine
CID 67634519

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine?
The IUPAC name of 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine (CID 170699040) is 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine.
What is the SMILES notation for 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine?
The canonical SMILES for 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine is Cn1ncc(Cl)c1C(Cc1cccnc1)OCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine?
The InChIKey is GAGLIROZERXJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-23-18(16(19)11-22-23)17(9-14-3-2-8-21-10-14)24-12-13-4-6-15(20)7-5-13/h2-8,10-11,17H,9,12H2,1H3.
What are the key properties of 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine?
3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine has a molecular weight of 345.81 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine is sourced from PubChem (CID 170699040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).